28 citations · 29 across the 2 of their papers we have counts for
3 papers
physics.chem-ph2022★ 1 cited
Secondary kinetic peak in the Kohn-Sham potential and its connection to the response step
Sara Giarrusso, Roeland Neugarten, Evert Jan Baerends +1
We consider a prototypical 1D model Hamiltonian for a stretched heteronuclear molecule and construct individual components of the corresponding KS potential, namely: the kinetic, t…
physics.chem-ph2019★ 28 cited
On derivatives of the energy with respect to total electron number and orbital occupation numbers. A critique of Janak's theorem
Evert Jan Baerends
The relation between the derivative of the energy with respect to occupation number and the orbital energy, , was first introduced by Slater for appr…
physics.chem-ph2018
Asymptotic nodal planes in the electron density and the potential in the effective equation for the square root of the density
Paola Gori-Giorgi, Evert Jan Baerends
It is known that the asymptotic decay of the electron density outside a molecule is informative about its first ionization potential. It has recently become clear that the special…